Cas no 1268336-13-5 (3-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate)
1268336-13-5 structure
Product Name:3-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
CAS No:1268336-13-5
MF:C15H20BNO6
MW:321.13340473175
CID:2106266
Update Time:2023-08-03
3-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate Chemical and Physical Properties
Names and Identifiers
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- 3-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
- PCTFBZFLLBKIKM-UHFFFAOYSA-N
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-nitrobenzyl acetate
- 3-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
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- Inchi： 1S/C15H20BNO6/c1-10(18)21-9-11-7-6-8-12(17(19)20)13(11)16-22-14(2,3)15(4,5)23-16/h6-8H,9H2,1-5H3
- InChI Key： PCTFBZFLLBKIKM-UHFFFAOYSA-N
- SMILES： O1B(C2C(=CC=CC=2COC(C)=O)[N+](=O)[O-])OC(C)(C)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 459
- Topological Polar Surface Area: 90.6
3-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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